Ti  H  C  O                             
   1.00000000000000     
     7.1121646230000000  -12.3873420000000003    0.0170610000000000
    -7.2181276700000003  -12.4223801880000000    0.0142300000000000
     0.0071329370000000   -0.0338612050000000  -17.3639927850000007
   Ti   H    C    O 
     6    26    48    28
Direct
  0.4734734332282926  0.2589717302639443  0.7500431069757525
  0.2378040332114466  0.5208453833549598  0.7510288080562404
  0.2658052208587875  0.2593492793623824  0.7508437491624065
  0.5266307311236744  0.7329766222424539  0.2501610751641508
  0.7341204774266075  0.5267723799931758  0.2501919261441756
  0.7590523473248965  0.7629599373047924  0.2519274896142818
  0.6227074862097552  0.3218850170515779  0.5620397656837000
  0.0533277859940924  0.6207400932434339  0.5629167829030308
  0.3236001549241507  0.0486435490705617  0.5618686474216048
  0.3772871071481774  0.6735524878812384  0.0602604228297920
  0.9461103808255658  0.3786772040378494  0.0627545852680882
  0.6775266258247683  0.9457105595386182  0.0628995160588275
  0.6762782602125199  0.3750416911791774  0.4397194194447493
  0.3766794043795016  0.9430686190473239  0.4393365332630879
  0.9453063020476620  0.6755447015079810  0.4407529401033230
  0.3238229281519907  0.6201155315459133  0.9380572307690613
  0.6247054407344024  0.0508709862691887  0.9400529127010344
  0.0542122483903142  0.3235973277128608  0.9407611433272720
  0.3741622584165469  0.6738927933280081  0.4388992307877118
  0.9466599895161281  0.3754643345186608  0.4385030515642043
  0.6759049876111476  0.9478187827908968  0.4373290849805400
  0.6231236725866864  0.3186742437421231  0.9397582715861788
  0.0501205638720847  0.6251449166569643  0.9365173736510641
  0.3248573170742333  0.0475783287806379  0.9389867660155886
  0.3208248402811478  0.6207859549320816  0.5612273339088887
  0.6235059909162857  0.0519420348047746  0.5603565315502550
  0.0561340909794197  0.3199747731205562  0.5599190845752062
  0.6769044790153771  0.3721832828811031  0.0617366551982172
  0.3784332470938594  0.9411244130686853  0.0612110741571357
  0.9433428770520180  0.6794076275727150  0.0590441585676871
  0.1915605992072997  0.7100429209739190  0.7149842942156326
  0.9082994066888972  0.8020598085179671  0.2180293354258467
  0.5690874915611417  0.3986985969478312  0.5346254630298759
  0.0295263035288755  0.5678525682527322  0.5350396308812293
  0.4007887252864251  0.0253815101407540  0.5343643682774868
  0.4301878866828943  0.5960210722652874  0.0335240185020069
  0.9697498511927378  0.4317198410947327  0.0348167776291746
  0.6007857339486193  0.9682617460015237  0.0350287158940716
  0.5985393014583522  0.4278975317431772  0.4667037565173047
  0.4299453994649909  0.9674071820766770  0.4663000960041686
  0.9699727623298955  0.5980734548353581  0.4674915148302077
  0.4007693761230584  0.5666852769709649  0.9657871703508292
  0.5716660913215463  0.0261772474165767  0.9669737775933314
  0.0291787598670012  0.4014229177515460  0.9670247088242903
  0.4277220099701324  0.5970419840456529  0.4662760099531482
  0.9707759708799557  0.4283344929925192  0.4660827557856209
  0.5991988421485672  0.9701309772225954  0.4652281301470111
  0.5700608464902999  0.3961029038299131  0.9666067338453743
  0.0270260542952343  0.5718720148444305  0.9647452079544010
  0.4021123311246129  0.0241519771604857  0.9663563172873282
  0.3985435580734062  0.5678810747930783  0.5342406331424101
  0.5703236800295599  0.0274892625842185  0.5334557310178880
  0.0310025321089498  0.3977888700887959  0.5335443054217848
  0.5996532076201504  0.4255213309903851  0.0343426687225019
  0.4315514271791656  0.9656865723154624  0.0342320125436046
  0.9683073457504747  0.6016663538822726  0.0327086063023572
  0.4351996544377741  0.4370852603620747  0.6400765539456117
  0.4687488680599117  0.4683763352688786  0.5693403839829401
  0.1258788714151891  0.4360612120854412  0.6398829409829858
  0.0605893758920431  0.4674743703363546  0.5689201785528155
  0.4385510989094641  0.1204684534463709  0.6391569337657401
  0.4707577839315391  0.0558656811733869  0.5690169703209023
  0.5627088117917296  0.5586416365021165  0.1386455221062448
  0.5299732139752109  0.5257536852198044  0.0687626033210407
  0.8743744934960276  0.5658869345776694  0.1400265655726969
  0.9390655176882063  0.5320034021647899  0.0686847673790965
  0.5644438074965095  0.8731361661601156  0.1403406885511558
  0.5311602245268432  0.9372007373093538  0.0694827800276911
  0.5608203798729008  0.5600532253937658  0.3615365308906036
  0.5281561971469486  0.5273558880765705  0.4315623278558576
  0.5632289956433141  0.8745340496495047  0.3604524573880283
  0.5295616058426234  0.9390125422258748  0.4308316118108309
  0.8731000558127491  0.5639873833655145  0.3619277880572724
  0.9396414488699207  0.5288003903193470  0.4323686461560214
  0.4359854158878349  0.4351865408722659  0.8610704482999552
  0.4702512975256070  0.4663368765992288  0.9315195607034497
  0.4388521994561501  0.1205212102345357  0.8619723850107874
  0.4718624835005514  0.0549851747557284  0.9317829767151551
  0.1241730803322696  0.4388726030930172  0.8606680421438284
  0.0584224207930575  0.4711875472965730  0.9311730282269366
  0.4969702389773474  0.3426085729043606  0.6684858876045467
  0.1499244191506790  0.5034142969055537  0.6689412734606890
  0.3448912765899763  0.1505150275092930  0.6691701708692790
  0.4994850395725550  0.6522698609487634  0.1678556050137985
  0.8425213493369483  0.5036451631198702  0.1688719388288007
  0.6556108078957834  0.8503917702687502  0.1702486569470452
  0.6548943578105337  0.4970771120567150  0.3322016215605785
  0.5032338434229899  0.8395222482566567  0.3318172349836814
  0.8470016717597630  0.6564833802817915  0.3344381978227915
  0.3436063078951790  0.5022457198842929  0.8326304556117066
  0.5022335079653715  0.1508735184147696  0.8323261657037406
  0.1583499635868932  0.3441946562895879  0.8327514113677239
  0.4971975728979885  0.6533589984848334  0.3319357510513754
  0.8423055237386947  0.5014907499366075  0.3320806947635546
  0.6547983770926038  0.8518497692817064  0.3303740912795163
  0.4982373698589484  0.3414622421518558  0.8316157242329183
  0.1477594410557685  0.5063533262079005  0.8304412763930884
  0.3446456582047972  0.1510817489426515  0.8328539450531736
  0.3438632467952090  0.5046863154618819  0.6698838499386426
  0.5022694586863352  0.1507718422831132  0.6683546144165433
  0.1578783666895376  0.3422089177542418  0.6688302246788638
  0.6564659176223202  0.4952716777412789  0.1683073540274336
  0.5027831736607524  0.8399188983349859  0.1689542299386062
  0.8508155561721580  0.6568252109357999  0.1693454047905192
  0.3249418241827939  0.3496400685943470  0.7496080752741747
  0.6765720439203875  0.6745879898321405  0.2496138092432787
  0.1715004874442769  0.6673208823269121  0.7469049375081127
  0.8430551765147172  0.8256278832027633  0.2481820916711754
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
